1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine

C10H11NO — CID 102547899

IUPAC1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
SMILESNC1C2COc3ccccc3C12
InChIInChI=1S/C10H11NO/c11-10-7-5-12-8-4-2-1-3-6(8)9(7)10/h1-4,7,9-10H,5,11H2
InChIKeyIPMROVIPBDYSSS-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.12
Rot. Bonds

About 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine

1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine (PubChem CID 102547899) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine.

Molecular Properties

Compound Name1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
PubChem CID102547899
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
SMILESNC1C2COc3ccccc3C12
InChIInChI=1S/C10H11NO/c11-10-7-5-12-8-4-2-1-3-6(8)9(7)10/h1-4,7,9-10H,5,11H2
InChIKeyIPMROVIPBDYSSS-UHFFFAOYSA-N
XLogP1.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
ethyl (1aR,7bS)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylate
CID 67048066
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112
3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole
CID 11896515

Frequently Asked Questions

What is the IUPAC name of 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine?
The IUPAC name of 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine (CID 102547899) is 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine.
What is the SMILES notation for 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine?
The canonical SMILES for 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine is NC1C2COc3ccccc3C12.
What is the InChIKey of 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine?
The InChIKey is IPMROVIPBDYSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-10-7-5-12-8-4-2-1-3-6(8)9(7)10/h1-4,7,9-10H,5,11H2.
What are the key properties of 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine?
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine has a molecular weight of 161.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine is sourced from PubChem (CID 102547899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).