(1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate

C12H18N4O2 — CID 56807754

IUPAC(1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2nnnn2C2CC2)CCCC1
InChIInChI=1S/C12H18N4O2/c1-12(6-2-3-7-12)11(17)18-8-10-13-14-15-16(10)9-4-5-9/h9H,2-8H2,1H3
InChIKeyCAOCSNGATSJNIU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.63
Rot. Bonds4

About (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate

(1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate (PubChem CID 56807754) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate
PubChem CID56807754
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2nnnn2C2CC2)CCCC1
InChIInChI=1S/C12H18N4O2/c1-12(6-2-3-7-12)11(17)18-8-10-13-14-15-16(10)9-4-5-9/h9H,2-8H2,1H3
InChIKeyCAOCSNGATSJNIU-UHFFFAOYSA-N
XLogP1.63
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate?
The IUPAC name of (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate (CID 56807754) is (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate is CC1(C(=O)OCc2nnnn2C2CC2)CCCC1.
What is the InChIKey of (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate?
The InChIKey is CAOCSNGATSJNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(6-2-3-7-12)11(17)18-8-10-13-14-15-16(10)9-4-5-9/h9H,2-8H2,1H3.
What are the key properties of (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate?
(1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyltetrazol-5-yl)methyl 1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 56807754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).