cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride

C12H16ClN3O2 — CID 67760337

IUPACcis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(c1cnc[nH]1)[C@H]1C[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C12H15N3O2.ClH/c16-11(10-5-13-6-15-10)8-3-9(8)12(17)14-4-7-1-2-7;/h5-9H,1-4H2,(H,13,15)(H,14,17);1H/t8-,9+;/m0./s1
InChIKeyMJSBGGHGNKVOGP-OULXEKPRSA-N
MW269.73 g/mol
LogP1.18
Rot. Bonds5

About cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride

cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 67760337) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID67760337
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Namecis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(c1cnc[nH]1)[C@H]1C[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C12H15N3O2.ClH/c16-11(10-5-13-6-15-10)8-3-9(8)12(17)14-4-7-1-2-7;/h5-9H,1-4H2,(H,13,15)(H,14,17);1H/t8-,9+;/m0./s1
InChIKeyMJSBGGHGNKVOGP-OULXEKPRSA-N
XLogP1.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride (CID 67760337) is cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(c1cnc[nH]1)[C@H]1C[C@H]1C(=O)NCC1CC1.
What is the InChIKey of cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is MJSBGGHGNKVOGP-OULXEKPRSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c16-11(10-5-13-6-15-10)8-3-9(8)12(17)14-4-7-1-2-7;/h5-9H,1-4H2,(H,13,15)(H,14,17);1H/t8-,9+;/m0./s1.
What are the key properties of cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride?
cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67760337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).