(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C16H22N2O — CID 104946423

IUPAC(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CCN(C3CC3)C1)O2
InChIInChI=1S/C16H22N2O/c1-11-2-5-15-13(8-11)14(17)9-16(19-15)6-7-18(10-16)12-3-4-12/h2,5,8,12,14H,3-4,6-7,9-10,17H2,1H3/t14-,16?/m0/s1
InChIKeyPESDEFGLVOTNNQ-LBAUFKAWSA-N
MW258.36 g/mol
LogP2.38
Rot. Bonds1

About (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104946423) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104946423
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CCN(C3CC3)C1)O2
InChIInChI=1S/C16H22N2O/c1-11-2-5-15-13(8-11)14(17)9-16(19-15)6-7-18(10-16)12-3-4-12/h2,5,8,12,14H,3-4,6-7,9-10,17H2,1H3/t14-,16?/m0/s1
InChIKeyPESDEFGLVOTNNQ-LBAUFKAWSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104946423) is (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is Cc1ccc2c(c1)[C@@H](N)CC1(CCN(C3CC3)C1)O2.
What is the InChIKey of (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is PESDEFGLVOTNNQ-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-2-5-15-13(8-11)14(17)9-16(19-15)6-7-18(10-16)12-3-4-12/h2,5,8,12,14H,3-4,6-7,9-10,17H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 258.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104946423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).